MMsINC Database Search


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MMsINC code: MMs01386676

Type: Neutral
Formula: C₁₈H₁₅NO₂

SMILES:

Oc1cc2c(cc1C(=O)NCc1ccccc1)cccc2

InChI:

InChI=1/C18H15NO2/c20-17-11-15-9-5-4-8-14(15)10-16(17)18(21)19-12-13-6-2-1-3-7-13/h1-11,20H,12H2,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.9138 kcal/mol

Physical Properties
Molecular Weight: 277.323 g/mol	logS: -4.81484	SlogP: 3.7418	Reactive groups: 0

Topological Properties
Globularity: 0.050225	Sterimol/B1: 3.61215	Sterimol/B2: 3.62206	Sterimol/B3: 3.68778
Sterimol/B4: 6.72773	Sterimol/L: 15.3929

Surface and Volume Properties
Accessible surface: 527.667	Positive charged surface: 291.844	Negative charged surface: 225.573	Volume: 275.5
Hydrophobic surface: 444.814	Hydrophilic surface: 82.853

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.